1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane

C8H13F5O — CID 175046926

IUPAC1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
SMILESCCCOC(F)(F)C(F)(F)C(C)(C)F
InChIInChI=1S/C8H13F5O/c1-4-5-14-8(12,13)7(10,11)6(2,3)9/h4-5H2,1-3H3
InChIKeyPQICGSUWQFUHGZ-UHFFFAOYSA-N
MW220.18 g/mol
LogP3.39
Rot. Bonds5

About 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane

1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane (PubChem CID 175046926) has the molecular formula C8H13F5O and a molecular weight of 220.18 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
PubChem CID175046926
Molecular FormulaC8H13F5O
Molecular Weight220.18 g/mol
Exact Mass220.09
IUPAC Name1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
SMILESCCCOC(F)(F)C(F)(F)C(C)(C)F
InChIInChI=1S/C8H13F5O/c1-4-5-14-8(12,13)7(10,11)6(2,3)9/h4-5H2,1-3H3
InChIKeyPQICGSUWQFUHGZ-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane
CID 173043231
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
1-(1,1-dipropoxyethoxy)propane
CID 21433420
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1-ethoxy-1,1,2,2,3,3-hexafluorobutane
CID 152519204
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
1,1-dipropoxyethylsilane
CID 173115072
2,3,3,4,4-pentafluoro-2-methylhexane
CID 170083407

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane?
The IUPAC name of 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane (CID 175046926) is 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane?
The canonical SMILES for 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane is CCCOC(F)(F)C(F)(F)C(C)(C)F.
What is the InChIKey of 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane?
The InChIKey is PQICGSUWQFUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5O/c1-4-5-14-8(12,13)7(10,11)6(2,3)9/h4-5H2,1-3H3.
What are the key properties of 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane?
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane has a molecular weight of 220.18 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane is sourced from PubChem (CID 175046926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).